4-[2-(4-methylphenyl)sulfonyl-1-piperidin-3-yl-pyrrolidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-[2-(4-methylphenyl)sulfonyl-1-piperidin-3-yl-pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-[1-(3-piperidyl)-2-(p-tolylsulfonyl)pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-[2-(4-methylphenyl)sulfonyl-1-(3-piperidinyl)-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-[2-(4-methylphenyl)sulfonyl-1-piperidin-3-ylpyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-[1-(3-piperidyl)-2-tosyl-pyrrolidin-3-yl]pyrimidin-2-yl]amine Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2C(CCN2C3CCCNC3)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2C(CCN2C3CCCNC3)C4=NC(=NC=C4)N

InChI

InChI=1S/C20H27N5O2S/c1-14-4-6-16(7-5-14)28(26,27)19-17(18-8-11-23-20(21)24-18)9-12-25(19)15-3-2-10-22-13-15/h4-8,11,15,17,19,22H,2-3,9-10,12-13H2,1H3,(H2,21,23,24)